4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene

C16H22N2 — CID 56606567

IUPAC4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene
SMILESCC1CC2=C3CCCC4=NCC(=C43)CC2C(C)N1
InChIInChI=1S/C16H22N2/c1-9-6-14-12-4-3-5-15-16(12)11(8-17-15)7-13(14)10(2)18-9/h9-10,13,18H,3-8H2,1-2H3
InChIKeyKLWNIXZCNNFUBV-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.01
Rot. Bonds

About 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene

4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene (PubChem CID 56606567) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene.

Molecular Properties

Compound Name4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene
PubChem CID56606567
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene
SMILESCC1CC2=C3CCCC4=NCC(=C43)CC2C(C)N1
InChIInChI=1S/C16H22N2/c1-9-6-14-12-4-3-5-15-16(12)11(8-17-15)7-13(14)10(2)18-9/h9-10,13,18H,3-8H2,1-2H3
InChIKeyKLWNIXZCNNFUBV-UHFFFAOYSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene with MolForge

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Related Compounds

4,5-Dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53899128
4-Methyl-5-propyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54176352
4-Methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54286019
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,5,9(16),11-tetraene
CID 56625147
4-Methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56631573
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57152936
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 91352720

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene?
The IUPAC name of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene (CID 56606567) is 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene.
What is the SMILES notation for 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene?
The canonical SMILES for 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene is CC1CC2=C3CCCC4=NCC(=C43)CC2C(C)N1.
What is the InChIKey of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene?
The InChIKey is KLWNIXZCNNFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-9-6-14-12-4-3-5-15-16(12)11(8-17-15)7-13(14)10(2)18-9/h9-10,13,18H,3-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene?
4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene has a molecular weight of 242.37 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene is sourced from PubChem (CID 56606567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).